2-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

• ChemBase ID: 229391
• Molecular Formular: C19H17ClN2OS
• Molecular Mass: 356.86908
• Monoisotopic Mass: 356.07501185
• SMILES: c1(nc(cs1)c1ccc(cc1)CC)NC(=O)C(c1ccccc1)Cl
• Canonical SMILES: CCc1ccc(cc1)c1csc(n1)NC(=O)C(c1ccccc1)Cl
• InChI: InChI=1S/C19H17ClN2OS/c1-2-13-8-10-14(11-9-13)16-12-24-19(21-16)22-18(23)17(20)15-6-4-3-5-7-15/h3-12,17H,2H2,1H3,(H,21,22,23)
• InChIKey: GOJIUMVBUCJFTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• IUPAC Traditional name: 2-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
• Synonyms: 2-Chloro-N-[4-(4-ethyl-phenyl)-thiazol-2-yl]-2-phenyl-acetamide

Database IDs

• MDL Number: MFCD03966887
• PubChem SID: 164285301
• PubChem CID: 3730029

CALCULATED PROPERTIES

• Acid pKa: 10.50778
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 6.0188336
• LogD (pH = 7.4): 6.018516
• Log P: 6.018838
• Molar Refractivity: 99.1202 cm^3
• Polarizability: 38.95343 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.874

Product Information

• Purity: 95%